NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5787 8.2227 120.1903 54.3659 42.6832 176.0057 3 H 4.1299 8.7852 125.3091 59.1191 30.0715 175.8591 4 D 4.3151 8.1205 120.5958 57.7727 41.0457 178.5397 5 T 3.8965 8.1648 110.0878 64.5765 68.6548 176.0146 6 E 3.8091 7.7070 121.3136 59.1322 29.5991 179.3410 7 V 3.6435 7.4980 118.9448 64.7548 31.5013 178.2757 8 I 3.7794 7.8173 120.5574 64.2555 37.0145 178.5801 9 V 3.8613 8.2521 119.3905 65.9354 31.2626 178.2368 10 K 4.0412 8.1384 118.3041 59.7155 32.0044 179.1554 11 D 4.3910 8.6126 119.5378 57.1530 40.6709 178.7022 12 F 3.9755 8.4128 121.4244 61.2183 39.4147 177.0402 13 N 4.5231 8.5422 116.4951 56.4355 38.1732 177.6143 14 S 4.1765 8.1360 114.6164 61.4414 63.3885 176.2965 15 I 3.7708 7.6678 123.3182 64.0316 36.8638 178.1408 16 L 3.8571 7.8455 121.1379 58.0573 41.6966 178.4968 17 E 4.1784 8.0733 116.7438 58.1324 29.4860 178.0011 18 E 4.4049 7.7892 117.6618 56.4273 31.2176 177.2283 19 L 4.1560 7.5006 122.3993 54.6020 39.7473 176.1690 20 T 4.5385 7.7878 108.8709 61.1266 70.1130 174.6435 21 F 3.9220 6.9954 115.7385 55.3894 40.9368 174.8180 22 N 4.2366 7.6258 119.0266 52.8385 36.7796 172.7844 23 S 4.1165 6.9425 114.4091 56.5418 63.5459 173.6330 24 R 3.8723 8.3969 129.2274 58.8622 30.0490 177.1321 25 P 4.2204 0.0000 0.0000 65.5632 31.3672 178.7839 26 I 3.5904 7.4381 118.1561 64.4087 37.0725 178.5794 27 I 3.6584 7.7480 120.9242 64.6178 36.8827 178.7030 28 T 3.9507 8.2582 110.9331 64.8676 68.5666 176.9783 29 T 3.8387 7.8293 118.7240 66.4260 68.4622 176.7317 30 L 3.7114 7.8890 120.9400 57.9018 41.5492 179.7663 31 T 3.8148 7.8044 115.6519 66.4253 68.3775 176.7742 32 K 3.9526 8.1906 120.5115 59.6310 32.2604 179.3216 33 L 4.0617 8.1316 118.9438 57.8286 41.2882 179.5356 34 A 4.4858 7.7696 121.2256 54.5591 18.3102 179.0585 35 E 4.1607 8.1857 117.1470 59.3325 29.9340 178.2480 36 E 4.4399 8.2931 115.7386 56.9111 30.7167 176.0519 37 N 5.2626 8.3097 116.8549 52.1560 39.8826 176.2533 38 I 4.1018 8.1839 120.7891 64.4428 37.6523 178.9371 39 S 4.1471 8.1225 113.4398 60.5682 63.1847 174.5383 40 C 4.3487 8.2902 118.2175 59.2903 28.4821 174.9903 41 A 4.0171 7.7361 124.5833 55.7293 17.7648 180.3427 42 Q 3.5349 7.4787 116.9955 59.2161 29.0773 177.7860 43 Y 4.1913 6.9212 117.4454 61.0278 37.9142 178.4754 44 F 4.0929 7.6020 118.3282 60.2686 38.9647 177.7618 45 V 3.4470 7.8483 118.0048 66.0685 31.3326 177.7546 46 D 4.3559 8.1415 118.3766 57.2987 40.6523 178.6909 47 A 4.1200 8.0927 121.0472 55.3918 18.4795 179.8087 48 I 3.8251 7.9868 118.0989 64.6568 37.3569 178.6266 49 E 3.9948 8.5706 119.5464 59.4642 29.3192 179.3344 50 S 4.1284 8.2794 113.2334 61.3253 62.4357 176.1954 51 R 3.9206 8.1271 121.4839 59.5539 29.6293 178.5950 52 I 3.6739 7.6042 118.6004 64.0239 37.0746 177.4163 53 E 4.1996 7.8075 118.5748 57.9428 29.6988 177.9260 54 K 4.2679 7.9563 117.9522 57.7124 32.8500 176.9048 55 C 4.4114 7.5219 112.8167 57.7564 30.4399 172.8620 56 M 4.3322 8.3677 116.7889 54.2353 32.1243 175.4474 57 P 4.0935 0.0000 0.0000 66.0954 31.3234 178.6562 58 K 3.8244 8.0431 115.2677 59.0826 32.0834 177.9893 59 Q 4.4887 8.1389 115.8968 55.6467 29.2446 177.5738 60 K 3.9046 7.8933 121.3814 58.9399 32.0709 178.9792 61 L 3.7319 7.3298 120.5321 58.2803 41.8928 178.4981 62 Y 4.1297 6.8134 115.7069 60.7008 37.8878 178.0562 63 A 4.0802 7.6030 121.6864 55.0348 18.3995 179.6559 64 F 4.2093 7.9588 116.3719 60.6912 38.8801 177.5410 65 Y 4.5785 8.1365 116.4055 60.8648 37.6939 178.0241 66 A 4.0406 8.0765 122.0810 54.8960 18.4803 179.4017 67 L 3.6762 7.8778 118.4563 58.1318 42.1460 178.5864 68 D 4.5531 8.5725 118.0976 57.6780 41.3004 178.1214 69 S 4.1357 8.3872 113.6553 61.4968 62.3208 176.1990 70 I 3.6623 7.7271 122.2296 64.6824 36.7370 178.3031 71 C 4.2359 8.1228 117.5489 62.7745 27.7122 176.3444 72 K 3.9902 8.0923 119.2078 58.7981 31.7384 178.3588 73 N 4.6677 8.1611 115.2446 54.1218 39.3220 176.8409 74 V 4.2149 7.9549 118.5352 65.0394 32.9904 175.8746 75 G 4.1044 8.5256 105.7175 45.2492 0.0000 173.5910 76 S 4.1911 8.4002 118.6123 57.5880 64.6484 172.3192 77 P 4.2343 0.0000 0.0000 63.3114 31.2958 177.4502 78 Y 4.0570 7.4558 118.0672 61.6320 37.6153 178.2910 79 T 4.0853 7.6105 110.0305 64.8225 68.5338 176.5206 80 I 3.8782 7.3892 122.0088 64.4622 37.4816 177.7784 81 Y 4.3839 7.7960 117.8299 61.3390 37.2435 178.8460 82 F 4.5906 8.5534 118.2149 60.2451 38.7587 177.8621 83 S 4.1950 7.8565 113.7653 61.2811 62.5777 176.5388 84 R 4.1497 7.5455 119.1980 58.9463 30.2453 177.4252 85 N 4.8776 7.8701 112.9412 52.8834 39.6860 176.1641 86 L 4.0251 7.7698 121.1985 58.3874 41.8919 178.6953 87 F 4.3123 8.2537 119.6383 61.4963 39.3533 176.3927 88 N 3.8401 8.1701 115.3491 56.3022 38.5436 177.1247 89 L 3.9940 7.9743 120.0615 58.0504 41.6766 179.0892 90 Y 4.0962 8.3504 119.3572 60.4778 38.7067 177.8800 91 K 3.4914 8.1174 120.7976 59.5885 32.0528 178.9779 92 R 3.8351 7.7329 117.0760 59.5242 30.2252 179.0472 93 T 4.0138 7.8255 115.1181 66.7283 68.6614 176.0830 94 Y 3.8248 8.0722 121.5990 60.7510 38.6229 178.0663 95 L 4.3723 8.2815 117.9827 56.4073 41.9010 178.1176 96 L 4.5541 7.5291 117.0497 53.6352 42.5708 176.1022 97 V 4.2711 6.5440 111.1742 58.9735 34.3849 175.3136 98 D 4.6037 7.9981 121.4389 52.8203 41.6587 176.9775 99 N 4.2112 8.4348 116.3941 56.6392 38.0964 177.7497 100 T 3.8394 7.8272 116.5952 67.0836 68.7144 176.7241 101 T 3.8113 8.4228 117.7732 66.4732 68.2322 177.0771 102 R 3.6166 7.7382 120.2173 59.2932 29.9017 179.1071 103 T 3.8955 7.9034 115.5748 66.7012 68.4431 176.8744 104 K 4.1044 7.8162 119.9734 59.2578 31.9411 179.4729 105 L 3.9677 7.8741 119.1523 57.4518 41.3854 179.5427 106 I 3.9796 7.5664 119.9901 64.2805 37.1887 178.0672 107 N 4.3480 8.0407 117.1305 56.3452 38.1171 177.0826 108 M 3.7818 7.7217 118.7912 58.4880 32.7038 177.6973 109 F 3.5421 7.5251 120.7541 61.0068 39.6477 177.1620 110 K 3.6479 7.9056 118.0464 59.4348 31.6457 179.2433 111 L 4.1065 7.6472 118.1760 56.9001 41.5072 179.0557 112 W 4.5393 7.7635 118.1937 58.7356 28.7488 177.9577 113 L 4.1654 7.4638 118.2814 56.2324 42.4117 177.0389 114 N 5.0068 7.7701 117.0361 51.5487 39.8167 171.4633 115 P 4.4034 0.0000 0.0000 63.9109 32.5702 177.0107 116 N 3.8949 9.4758 117.0920 53.6577 36.2403 173.2974 117 D 4.5401 7.5145 113.1711 55.4956 40.1664 174.7094 118 T 4.0470 7.9208 108.3721 61.8175 69.4641 175.7778 119 G 3.8870 8.8375 110.0345 45.4494 0.0000 172.8277 120 L 4.6854 7.4751 118.6729 51.5831 44.2804 174.8536 121 P 4.3616 0.0000 0.0000 62.9321 31.8146 176.2469 122 L 3.8076 8.6306 124.8223 56.9603 42.1781 177.2080 123 F 4.8310 7.7749 116.2049 55.4924 41.2104 174.5975 124 E 4.4964 8.5557 124.8119 56.0628 31.2538 175.3653 125 G 3.8901 8.5635 105.6476 44.7488 0.0000 174.5475 126 S 4.5916 8.7178 115.3035 58.1628 63.6327 175.3149 127 A 3.9937 7.8849 125.5566 55.9056 18.1759 179.8891 128 L 4.3103 8.0334 116.9334 57.7916 41.8005 179.4992 129 E 4.0539 8.1881 117.4082 59.3835 29.8078 179.2046 130 K 3.8696 8.0317 119.4818 59.0617 31.9098 179.4588 131 I 3.8869 7.6332 119.6955 64.2314 36.9930 177.9552 132 E 3.6517 8.0167 120.1532 59.4859 29.3361 179.0003 133 Q 4.0035 8.0174 117.8661 58.8057 28.6891 178.5331 134 F 4.3092 8.0626 121.3532 61.3096 39.3895 177.2909 135 L 3.4266 7.9004 118.7185 57.5467 41.1124 179.5170 136 I 3.6593 7.5473 118.9981 63.9414 37.0309 178.0031 137 K 4.1569 7.4713 118.1712 58.5878 32.3750 178.7324 138 A 4.0555 7.7948 120.5912 53.2640 18.3832 177.8404 139 S 4.1236 7.6642 113.1796 58.1026 62.8208 173.1607 140 A 4.6249 8.2008 128.6099 51.4462 21.9448 175.5363 141 A 4.1437 8.2655 121.9353 52.8148 19.0167 176.5790 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 D 8.22 4.58 0.00 2.70 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 H 8.79 4.13 0.00 3.36 3.29 0.00 5.94 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.12 4.32 0.00 2.88 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.16 3.90 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 6 E 7.71 3.81 0.00 2.37 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 7 V 7.50 3.64 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.94 0.00 0.00 8 I 7.82 3.78 2.11 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.96 1.21 0.00 0.00 9 V 8.25 3.86 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.79 0.00 0.00 10 K 8.14 4.04 0.00 2.05 1.87 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.74 7.81 11 D 8.61 4.39 0.00 3.03 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.41 3.98 0.00 3.24 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.54 4.52 0.00 3.15 2.93 0.00 0.00 6.80 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.14 4.18 0.00 4.03 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 I 7.67 3.77 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.66 0.73 0.00 0.00 16 L 7.85 3.86 0.00 1.63 1.87 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.07 4.18 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 18 E 7.79 4.40 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 19 L 7.50 4.16 0.00 1.54 1.71 0.81 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.79 4.54 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 21 F 7.00 3.92 0.00 2.87 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 N 7.63 4.24 0.00 2.70 2.80 0.00 0.00 6.82 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 6.94 4.12 0.00 2.72 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.40 3.87 0.00 1.85 1.94 0.00 3.33 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 25 P 0.00 4.22 0.00 2.13 2.08 0.00 3.49 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 26 I 7.44 3.59 1.67 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.62 0.75 0.00 0.00 27 I 7.75 3.66 1.91 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.91 0.92 0.00 0.00 28 T 8.26 3.95 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 29 T 7.83 3.84 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 30 L 7.89 3.71 0.00 1.67 1.42 0.63 -0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.80 3.81 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 32 K 8.19 3.95 0.00 2.07 1.87 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.49 7.81 33 L 8.13 4.06 0.00 1.86 1.74 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.77 4.49 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.19 4.16 0.00 2.02 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 36 E 8.29 4.44 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 37 N 8.31 5.26 0.00 3.31 2.93 0.00 0.00 6.85 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.18 4.10 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.30 0.84 0.00 0.00 39 S 8.12 4.15 0.00 3.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.29 4.35 0.00 2.27 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.74 4.02 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 7.48 3.53 0.00 1.50 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.85 0.00 0.00 0.00 0.00 0.00 1.98 2.14 0.00 43 Y 6.92 4.19 0.00 2.81 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 7.60 4.09 0.00 3.20 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.85 3.45 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.59 0.00 0.00 46 D 8.14 4.36 0.00 2.95 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.09 4.12 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.99 3.83 2.41 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.16 1.03 0.00 0.00 49 E 8.57 3.99 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.77 0.00 50 S 8.28 4.13 0.00 4.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.13 3.92 0.00 2.17 2.06 0.00 3.32 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 52 I 7.60 3.67 1.93 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.68 0.77 0.00 0.00 53 E 7.81 4.20 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 54 K 7.96 4.27 0.00 1.88 1.85 0.00 1.65 0.00 0.00 2.02 0.00 0.00 3.21 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.48 7.81 55 C 7.52 4.41 0.00 3.11 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 M 8.37 4.33 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.57 0.00 57 P 0.00 4.09 0.00 2.13 2.27 0.00 3.61 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 58 K 8.04 3.82 0.00 1.73 1.94 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.55 7.81 59 Q 8.14 4.49 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 60 K 7.89 3.90 0.00 1.75 1.86 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.60 7.81 61 L 7.33 3.73 0.00 1.31 0.72 0.62 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 6.81 4.13 0.00 3.01 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.60 4.08 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 7.96 4.21 0.00 3.15 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 8.14 4.58 0.00 3.28 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.08 4.04 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.88 3.68 0.00 1.48 1.90 0.39 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.57 4.55 0.00 3.40 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.39 4.14 0.00 3.94 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.73 3.66 2.10 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.53 0.53 0.00 0.00 71 C 8.12 4.24 0.00 2.93 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.09 3.99 0.00 1.76 1.88 0.00 1.89 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 3.43 0.00 0.00 0.00 0.00 1.50 1.65 7.81 73 N 8.16 4.67 0.00 2.81 2.86 0.00 0.00 6.89 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.95 4.21 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.96 0.00 0.00 75 G 8.53 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.40 4.19 0.00 3.80 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.23 0.00 1.00 1.81 0.00 3.33 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.66 0.00 78 Y 7.46 4.06 0.00 3.36 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.61 4.09 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 80 I 7.39 3.88 1.63 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.86 0.89 0.00 0.00 81 Y 7.80 4.38 0.00 2.72 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.55 4.59 0.00 3.46 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 S 7.86 4.19 0.00 4.18 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 R 7.55 4.15 0.00 1.91 2.02 0.00 3.27 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 85 N 7.87 4.88 0.00 3.00 2.85 0.00 0.00 6.66 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.77 4.03 0.00 1.88 1.62 0.66 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 87 F 8.25 4.31 0.00 3.13 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.17 3.84 0.00 2.79 2.78 0.00 0.00 7.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 7.97 3.99 0.00 2.04 1.88 0.98 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 8.35 4.10 0.00 3.35 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.12 3.49 0.00 0.83 1.20 0.00 0.97 0.00 0.00 1.08 0.00 0.00 2.72 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.90 0.21 7.81 92 R 7.73 3.84 0.00 1.76 1.94 0.00 3.17 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.83 0.00 93 T 7.83 4.01 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 94 Y 8.07 3.82 0.00 2.97 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.28 4.37 0.00 1.69 1.77 0.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.53 4.55 0.00 1.59 1.65 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 97 V 6.54 4.27 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.76 0.00 0.00 98 D 8.00 4.60 0.00 2.88 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 N 8.43 4.21 0.00 2.70 2.85 0.00 0.00 6.81 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 T 7.83 3.84 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 101 T 8.42 3.81 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 102 R 7.74 3.62 0.00 1.81 1.53 0.00 2.82 0.00 0.00 2.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.49 0.00 103 T 7.90 3.90 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 104 K 7.82 4.10 0.00 1.92 1.96 0.00 1.70 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.50 7.81 105 L 7.87 3.97 0.00 1.87 1.49 0.62 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.57 3.98 2.12 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.03 1.00 0.00 0.00 107 N 8.04 4.35 0.00 2.71 2.84 0.00 0.00 6.65 8.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 M 7.72 3.78 0.00 1.90 2.06 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 1.54 0.00 109 F 7.53 3.54 0.00 2.82 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 7.91 3.65 0.00 1.96 1.77 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.81 7.81 111 L 7.65 4.11 0.00 1.80 1.73 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 112 W 7.76 4.54 0.00 3.55 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.46 4.17 0.00 1.66 1.64 0.70 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 114 N 7.77 5.01 0.00 2.70 2.61 0.00 0.00 6.80 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.40 0.00 2.24 2.19 0.00 3.99 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.93 0.00 116 N 9.48 3.89 0.00 2.85 2.91 0.00 0.00 7.05 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 D 7.51 4.54 0.00 2.78 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 T 7.92 4.05 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 119 G 8.84 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.48 4.69 0.00 1.53 1.53 0.91 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.36 0.00 2.05 2.05 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 122 L 8.63 3.81 0.00 1.40 1.23 0.69 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.77 4.83 0.00 3.02 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.56 4.50 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 125 G 8.56 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.72 4.59 0.00 4.14 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.88 3.99 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 8.03 4.31 0.00 1.86 2.01 1.10 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.19 4.05 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 130 K 8.03 3.87 0.00 1.49 0.74 0.00 1.37 0.00 0.00 0.97 0.00 0.00 2.75 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.07 1.41 7.81 131 I 7.63 3.89 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.89 -0.13 0.00 0.00 132 E 8.02 3.65 0.00 2.39 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 133 Q 8.02 4.00 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 134 F 8.06 4.31 0.00 3.30 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 7.90 3.43 0.00 1.64 1.46 0.41 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 136 I 7.55 3.66 1.97 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.65 0.88 0.00 0.00 137 K 7.47 4.16 0.00 1.63 1.84 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.62 7.81 138 A 7.79 4.06 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 S 7.66 4.12 0.00 3.85 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.20 4.62 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 A 8.27 4.14 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00